{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=487","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=485","results":[{"id":"jvasp-110511","created_at":"2022-09-04T14:38:39.240733Z","updated_at":"2022-09-04T14:38:39.240743Z","structure_string":"Si2 P4 Ir1\n1.0\n4.691424 0.003907 1.596340\n-1.146115 4.549275 1.596340\n0.007531 0.009671 5.611640\nSi P Ir\n2 4 1\ndirect\n0.587538 0.587539 0.137725 Si\n0.412460 0.412460 0.862276 Si\n0.711744 0.160580 0.343314 P\n0.839419 0.288255 0.656687 P\n0.160579 0.711744 0.343314 P\n0.288254 0.839419 0.656687 P\n0.000000 0.000000 0.000000 Ir\n","nsites":7,"nelements":3,"elements":["Si","P","Ir"],"chemical_system":"Ir-P-Si","density":5.166777061096308,"density_atomic":0.05850532609733455,"volume":119.64722644830988,"volume_molar":10.293320560218815,"formula_full":"Si2 P4 Ir1","formula_reduced":"Si2P4Ir","formula_anonymous":"AB2C4","energy_above_hull":3.679350042857143,"spacegroup":12},{"id":"jvasp-104006","created_at":"2022-09-04T14:36:52.971658Z","updated_at":"2022-09-04T14:36:52.971673Z","structure_string":"Sn2 H16 C8 F4\n1.0\n3.632211 0.031689 -0.319724\n-0.058913 5.213833 -1.044780\n-0.001630 -0.395476 13.516209\nSn H C F\n2 16 8 4\ndirect\n0.995438 0.982337 0.973336 Sn\n0.994601 0.982278 0.473330 Sn\n0.689273 0.537644 0.874371 H\n0.168966 0.495150 0.897421 H\n0.809035 0.745862 0.727484 H\n0.168442 0.495150 0.397434 H\n0.688754 0.537507 0.374303 H\n0.282702 0.701427 0.251522 H\n0.808613 0.745702 0.227437 H\n0.283085 0.701179 0.751456 H\n0.301196 0.426867 0.572282 H\n0.181426 0.218775 0.719185 H\n0.707374 0.263458 0.695226 H\n0.301715 0.427005 0.072348 H\n0.822059 0.469541 0.049251 H\n0.181866 0.218935 0.219231 H\n0.707773 0.263208 0.195162 H\n0.821537 0.469542 0.549263 H\n0.959773 0.614788 0.867265 C\n0.012819 0.620208 0.757108 C\n0.959253 0.614736 0.367247 C\n0.977929 0.344418 0.189565 C\n0.977633 0.344427 0.689566 C\n0.030650 0.349827 0.579405 C\n0.031174 0.349879 0.079422 C\n0.012535 0.620218 0.257109 C\n0.467677 0.099931 0.394396 F\n0.468250 0.099970 0.894397 F\n0.522745 0.864690 0.052276 F\n0.522169 0.864653 0.552275 F\n","nsites":30,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":2.7772978238314185,"density_atomic":0.1178870780876869,"volume":254.4808174623292,"volume_molar":5.108397678260041,"formula_full":"Sn2 H16 C8 F4","formula_reduced":"SnH8(C2F)2","formula_anonymous":"AB2C4D8","energy_above_hull":3.679061484333333,"spacegroup":2},{"id":"jvasp-40513","created_at":"2022-09-04T14:37:46.962352Z","updated_at":"2022-09-04T14:37:46.962378Z","structure_string":"Ta1 Ga1 Ru2\n1.0\n-0.000000 3.097046 3.097046\n3.097046 -0.000000 3.097046\n3.097046 3.097046 -0.000000\nTa Ga Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ta\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n","nsites":4,"nelements":3,"elements":["Ta","Ga","Ru"],"chemical_system":"Ga-Ru-Ta","density":12.655898625318056,"density_atomic":0.06732665345169649,"volume":59.41183461420372,"volume_molar":8.944660771414377,"formula_full":"Ta1 Ga1 Ru2","formula_reduced":"TaGaRu2","formula_anonymous":"ABC2","energy_above_hull":3.67877563125,"spacegroup":225},{"id":"jvasp-101973","created_at":"2022-09-04T14:37:04.135164Z","updated_at":"2022-09-04T14:37:04.135182Z","structure_string":"Sn2 H16 C8 F4\n1.0\n4.269866 0.073776 -0.320759\n-1.738391 4.299468 -0.088712\n0.275159 -0.072247 14.189947\nSn H C F\n2 16 8 4\ndirect\n-0.031622 0.924752 0.949054 Sn\n0.715146 0.059081 0.471616 Sn\n0.602989 0.495672 0.828721 H\n0.013817 0.631011 0.789336 H\n0.522409 0.715813 0.682122 H\n0.564295 0.255535 0.306697 H\n0.005394 0.390390 0.332985 H\n0.567050 0.730823 0.254700 H\n0.999138 0.850576 0.287467 H\n0.554908 0.010933 0.767092 H\n0.080586 0.488130 0.591950 H\n0.161130 0.267980 0.738550 H\n0.128632 0.972862 0.653578 H\n0.678028 0.593401 0.087665 H\n0.119114 0.728257 0.113984 H\n0.684218 0.133177 0.133192 H\n0.116299 0.252967 0.165968 H\n0.669768 0.352832 0.631341 H\n0.809347 0.702554 0.810453 C\n0.697410 0.881704 0.735579 C\n0.775142 0.183994 0.327623 C\n0.880806 0.050394 0.160641 C\n0.986136 0.102096 0.685091 C\n0.874214 0.281261 0.610219 C\n0.908281 0.799800 0.093042 C\n0.802561 0.933379 0.260023 C\n0.547486 0.590711 0.471319 F\n0.136059 0.393132 0.949366 F\n0.493838 0.024219 0.947786 F\n0.189675 0.959588 0.472871 F\n","nsites":30,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":2.6911093221493,"density_atomic":0.11422866214796469,"volume":262.6311070783607,"volume_molar":5.272004982601735,"formula_full":"Sn2 H16 C8 F4","formula_reduced":"SnH8(C2F)2","formula_anonymous":"AB2C4D8","energy_above_hull":3.678734151,"spacegroup":2},{"id":"jvasp-70474","created_at":"2022-09-04T14:36:16.301646Z","updated_at":"2022-09-04T14:36:16.301669Z","structure_string":"Zr1 Ta1 Be2\n1.0\n-2.050030 2.050030 3.468929\n2.050030 -2.050030 3.468929\n2.050030 2.050030 -3.468929\nZr Ta Be\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Ta\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n","nsites":4,"nelements":3,"elements":["Zr","Ta","Be"],"chemical_system":"Be-Ta-Zr","density":8.263519363498128,"density_atomic":0.06859368834169852,"volume":58.31440321555615,"volume_molar":8.779438612486894,"formula_full":"Zr1 Ta1 Be2","formula_reduced":"ZrTaBe2","formula_anonymous":"ABC2","energy_above_hull":3.678631475,"spacegroup":139},{"id":"jvasp-112667","created_at":"2022-09-04T14:38:42.279851Z","updated_at":"2022-09-04T14:38:42.279880Z","structure_string":"Lu2 Fe4 Si9\n1.0\n3.939267 0.000000 0.000000\n-1.969633 3.411506 0.000000\n0.000000 0.000000 15.831657\nLu Fe Si\n2 4 9\ndirect\n0.333335 0.666668 0.240460 Lu\n0.666668 0.333334 0.759540 Lu\n0.333335 0.666668 0.591544 Fe\n0.666668 0.333334 0.408456 Fe\n0.666668 0.333334 0.103250 Fe\n0.333335 0.666668 0.896751 Fe\n0.333335 0.666668 0.432951 Si\n0.666668 0.333334 0.567049 Si\n0.666668 0.333334 0.956990 Si\n0.333335 0.666668 0.043011 Si\n0.000000 0.000000 0.654354 Si\n0.000000 0.000000 0.345646 Si\n0.000000 0.000000 0.130015 Si\n0.000000 0.000000 0.869985 Si\n0.000000 0.000000 0.500000 Si\n","nsites":15,"nelements":3,"elements":["Lu","Fe","Si"],"chemical_system":"Fe-Lu-Si","density":6.447407435773025,"density_atomic":0.07050230720389707,"volume":212.7589946328858,"volume_molar":8.541764090902152,"formula_full":"Lu2 Fe4 Si9","formula_reduced":"Lu2Fe4Si9","formula_anonymous":"A2B4C9","energy_above_hull":3.67839806,"spacegroup":164},{"id":"jvasp-71055","created_at":"2022-09-04T14:35:59.925332Z","updated_at":"2022-09-04T14:35:59.925356Z","structure_string":"Zr2 Mn1 Be1\n1.0\n3.150840 0.000000 0.000000\n0.000000 3.150840 -0.000000\n0.000000 0.000000 6.497393\nZr Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.958011 Zr\n0.500000 0.500000 0.309972 Zr\n0.500000 0.500000 0.674385 Mn\n0.000000 0.000000 0.557629 Be\n","nsites":4,"nelements":3,"elements":["Zr","Mn","Be"],"chemical_system":"Be-Mn-Zr","density":6.343001867995255,"density_atomic":0.0620109171535734,"volume":64.5047708308165,"volume_molar":9.711420240867977,"formula_full":"Zr2 Mn1 Be1","formula_reduced":"Zr2MnBe","formula_anonymous":"ABC2","energy_above_hull":3.678300585344827,"spacegroup":99},{"id":"jvasp-8799","created_at":"2022-09-04T14:37:13.165024Z","updated_at":"2022-09-04T14:37:13.165048Z","structure_string":"Cs2 Ta2 N4\n1.0\n6.236247 -0.012480 0.017649\n3.107315 5.382028 -0.000000\n3.128931 1.781530 5.091874\nCs Ta N\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ta\n0.625000 0.185514 0.125000 N\n0.185514 0.125000 0.064486 N\n0.125000 0.064486 0.624999 N\n0.064485 0.625000 0.185514 N\n","nsites":8,"nelements":3,"elements":["Cs","Ta","N"],"chemical_system":"Cs-N-Ta","density":6.643458568506824,"density_atomic":0.04681103940620325,"volume":170.89985827018114,"volume_molar":12.864787529588513,"formula_full":"Cs2 Ta2 N4","formula_reduced":"CsTaN2","formula_anonymous":"ABC2","energy_above_hull":3.678145575,"spacegroup":122},{"id":"jvasp-71220","created_at":"2022-09-04T14:36:12.736607Z","updated_at":"2022-09-04T14:36:12.736626Z","structure_string":"Mn2 Be1 Ir1\n1.0\n2.786022 0.000000 -0.000000\n0.000000 2.786022 0.000000\n-0.000000 0.000000 5.644761\nMn Be Ir\n2 1 1\ndirect\n0.000000 0.000000 0.037490 Mn\n0.500000 0.500000 0.253640 Mn\n0.000000 0.000000 0.488836 Be\n0.500000 0.500000 0.720034 Ir\n","nsites":4,"nelements":3,"elements":["Mn","Be","Ir"],"chemical_system":"Be-Ir-Mn","density":11.790760737040456,"density_atomic":0.09129465456371565,"volume":43.81417531087049,"volume_molar":6.596378275134471,"formula_full":"Mn2 Be1 Ir1","formula_reduced":"Mn2BeIr","formula_anonymous":"ABC2","energy_above_hull":3.6779829206896553,"spacegroup":99},{"id":"jvasp-105560","created_at":"2022-09-04T14:37:00.930216Z","updated_at":"2022-09-04T14:37:00.930243Z","structure_string":"Al2 Co2 N4\n1.0\n3.062016 -0.000000 -4.376341\n-3.062016 3.062016 -0.000000\n-0.000000 0.000000 8.752682\nAl Co N\n2 2 4\ndirect\n-0.000000 0.500001 0.250000 Al\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500001 0.750000 Co\n0.000000 -0.000000 0.500000 Co\n0.500001 0.998516 0.125000 N\n0.500001 0.001485 0.625000 N\n0.502971 0.501486 0.376485 N\n0.497030 0.498515 0.873515 N\n","nsites":8,"nelements":3,"elements":["Al","Co","N"],"chemical_system":"Al-Co-N","density":4.6105635695456275,"density_atomic":0.09748413120085367,"volume":82.06463863864177,"volume_molar":6.177560066255444,"formula_full":"Al2 Co2 N4","formula_reduced":"AlCoN2","formula_anonymous":"ABC2","energy_above_hull":3.67762505,"spacegroup":122},{"id":"jvasp-54755","created_at":"2022-09-04T14:38:11.874650Z","updated_at":"2022-09-04T14:38:11.874674Z","structure_string":"Ta4 H8 O14\n1.0\n5.289046 5.259036 -0.123259\n-0.118945 5.259036 5.416588\n5.170101 -0.000000 5.293329\nTa H O\n4 8 14\ndirect\n0.514634 0.971348 0.496972 Ta\n0.523843 0.476084 0.002602 Ta\n0.028653 0.485366 0.482954 Ta\n0.523917 0.476158 0.502528 Ta\n0.945647 0.323738 0.926234 H\n0.940272 0.908936 0.332466 H\n-0.020115 0.228791 0.265569 H\n0.201918 0.103690 0.133021 H\n0.676263 0.054354 0.695618 H\n0.771210 0.020115 -0.025756 H\n0.896311 0.798083 0.938628 H\n0.091065 0.059729 0.681674 H\n0.841585 0.411947 0.444317 O\n0.476962 0.775749 0.438439 O\n0.861627 0.395512 0.823944 O\n0.488504 0.396722 0.812394 O\n0.858853 0.800322 0.417707 O\n0.496774 0.768087 0.800674 O\n0.588054 0.158416 0.197848 O\n0.224252 0.523039 0.191149 O\n0.603278 0.511497 0.197620 O\n0.199679 0.141148 0.576880 O\n0.231914 0.503227 0.565534 O\n0.864105 0.953558 0.859454 O\n0.604489 0.138373 0.581083 O\n0.046443 0.135895 0.177116 O\n","nsites":26,"nelements":3,"elements":["Ta","H","O"],"chemical_system":"H-O-Ta","density":5.270117978042138,"density_atomic":0.08632893240176549,"volume":301.1736537989236,"volume_molar":6.975808216848565,"formula_full":"Ta4 H8 O14","formula_reduced":"Ta2H4O7","formula_anonymous":"A2B4C7","energy_above_hull":3.677506376923077,"spacegroup":9},{"id":"jvasp-51185","created_at":"2022-09-04T14:36:39.597342Z","updated_at":"2022-09-04T14:36:39.597368Z","structure_string":"Tl1 Tc1 Ir2\n1.0\n0.000000 3.233482 3.233479\n3.233485 -0.000002 3.233481\n3.233484 3.233483 -0.000002\nTl Tc Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n","nsites":4,"nelements":3,"elements":["Tl","Tc","Ir"],"chemical_system":"Ir-Tc-Tl","density":16.867416998434546,"density_atomic":0.05915864929860837,"volume":67.61479593304533,"volume_molar":10.179645464186862,"formula_full":"Tl1 Tc1 Ir2","formula_reduced":"TlTcIr2","formula_anonymous":"ABC2","energy_above_hull":3.677196574999999,"spacegroup":225}]}